CID 44827

(5-methoxy-3-indolyl)-(4-piperidyl-methyl)-keton hydrochlorid [german]

Structural Information

Molecular Formula
C16H20N2O2
SMILES
COC1=CC2=C(C=C1)NC=C2C(=O)CN3CCCCC3
InChI
InChI=1S/C16H20N2O2/c1-20-12-5-6-15-13(9-12)14(10-17-15)16(19)11-18-7-3-2-4-8-18/h5-6,9-10,17H,2-4,7-8,11H2,1H3
InChIKey
DVBZFBRGCRXTTH-UHFFFAOYSA-N
Compound name
1-(5-methoxy-1H-indol-3-yl)-2-piperidin-1-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

2
Patents

272.15247 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.15975 163.6
[M+Na]+ 295.14169 169.7
[M-H]- 271.14519 166.6
[M+NH4]+ 290.18629 178.9
[M+K]+ 311.11563 165.0
[M+H-H2O]+ 255.14973 154.9
[M+HCOO]- 317.15067 180.4
[M+CH3COO]- 331.16632 173.9
[M+Na-2H]- 293.12714 165.7
[M]+ 272.15192 161.5
[M]- 272.15302 161.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe